3-(3-methylthiophen-2-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide

C16H20N4OS — CID 122298326

IUPAC3-(3-methylthiophen-2-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide
SMILESCc1ccsc1CCC(=O)Nc1cnc(N2CCCC2)nc1
InChIInChI=1S/C16H20N4OS/c1-12-6-9-22-14(12)4-5-15(21)19-13-10-17-16(18-11-13)20-7-2-3-8-20/h6,9-11H,2-5,7-8H2,1H3,(H,19,21)
InChIKeyGPKOTVGFXNONSQ-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.02
Rot. Bonds5

About 3-(3-methylthiophen-2-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide

3-(3-methylthiophen-2-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide (PubChem CID 122298326) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide
PubChem CID122298326
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name3-(3-methylthiophen-2-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide
SMILESCc1ccsc1CCC(=O)Nc1cnc(N2CCCC2)nc1
InChIInChI=1S/C16H20N4OS/c1-12-6-9-22-14(12)4-5-15(21)19-13-10-17-16(18-11-13)20-7-2-3-8-20/h6,9-11H,2-5,7-8H2,1H3,(H,19,21)
InChIKeyGPKOTVGFXNONSQ-UHFFFAOYSA-N
XLogP3.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylthiophen-2-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)propanamide
CID 122300397
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide
CID 122320309
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide
CID 71789958
N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide
CID 53164766
2-(4-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164666
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(3-methylthiophen-2-yl)propanamide
CID 122254357
3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide
CID 122298424
2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298207
2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 122298592
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 122333145
3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
CID 90597292

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylthiophen-2-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide?
The IUPAC name of 3-(3-methylthiophen-2-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide (CID 122298326) is 3-(3-methylthiophen-2-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide?
The canonical SMILES for 3-(3-methylthiophen-2-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide is Cc1ccsc1CCC(=O)Nc1cnc(N2CCCC2)nc1.
What is the InChIKey of 3-(3-methylthiophen-2-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide?
The InChIKey is GPKOTVGFXNONSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-12-6-9-22-14(12)4-5-15(21)19-13-10-17-16(18-11-13)20-7-2-3-8-20/h6,9-11H,2-5,7-8H2,1H3,(H,19,21).
What are the key properties of 3-(3-methylthiophen-2-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide?
3-(3-methylthiophen-2-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide has a molecular weight of 316.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 122298326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).